AG003HVA

90-27-7 | 2-Phenylbutanoic acid

AG003HVA

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CAS Number	90-27-7
Catalog Number	AG003HVA(AGN-PC-0VQ9O1)
Chemical Name	2-Phenylbutanoic acid
EC Number	201-982-5
IUPAC Name	2-phenylbutanoic acid
InChI	InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChI Key	OFJWFSNDPCAWDK-UHFFFAOYSA-N
MDL Number	MFCD00002667
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	1860
SMILES	CCC(C1=CC=CC=C1)C(O)=O
Synonyms	2-phenylbutanoic acid, 2-phenylbutyric acid, 2-Phenylbutyric acid, 2-Phenylbutanoic acid, 90-27-7, alpha-Ethylphenylacetic acid, alpha-Phenylbutyric acid, Butyric acid, 2-phenyl-, Benzeneacetic acid, .alpha.-ethyl-, alpha-Phenyl butyric acid, 2-Phenylbutyricacid, Benzeneacetic acid, alpha-ethyl-, NSC 1860, 2-Phenylburyric acid, alpha-Toluic acid, alpha-ethyl-, 2-phenyl-butyric acid, EINECS 201-982-5, MFCD00002667, .alpha.-Phenylbutyric acid, (r)-2-phenylbutanoic acid, BRN 0509876, 2-Ethyl-2-phenylacetic Acid, alpha-Ethyl-alpha-toluic acid, (+/-)-2-Phenylbutyric acid, AI3-11228, CHEBI:86545, NSC1860, OFJWFSNDPCAWDK-UHFFFAOYSA-N, .alpha.-Toluic acid, .alpha.-ethyl-, a-Phenylbutyrate, 2-Phenylbutyrate, a-Ethyl-a-toluate, a-Ethylphenylacetate, alpha-Phenylbutyrate, phenyl butanoic acid, a-Ethylbenzeneacetate, ACMC-20apgm, 2-Phenyl butyric acid, a-Ethyl-a-toluic acid, alpha-Ethylphenylacetate, Spectrum_001673, Butanoic acid, phenyl-, a-Ethylphenylacetic acid, ACMC-20apl0, alpha-Ethylbenzeneacetate, SpecPlus_000897, a-Ethylbenzeneacetic acid, (RS)-2-Phenylbutanoate, AC1L1NSY, AC1Q2RVZ, AC1Q5RUV, alpha-Ethyl-alpha-toluate, Spectrum2_000510, Spectrum3_001664, Spectrum4_000626, Spectrum5_001396, (+)2-phenylbutyric acid, ACMC-209r5g, bmse000617, A-PHENYLBUTYRIC ACID, alpha-Phenyl-n-butyric acid, Cambridge id 5132265, SCHEMBL1715, WLN: QVY2&R, .alpha.-Phenyl butyric acid, alpha-Ethylbenzeneacetic acid, (RS)-2-Phenylbutanoic acid, 2-Phenylbutyric acid, 98%, BSPBio_003447, KBioGR_001212, KBioSS_002153, 2-09-00-00356 (Beilstein Handbook Reference), KSC209S9B, DivK1c_006993, .alpha.-Ethylphenylacetic acid, SPBio_000439, (2RS)-2-Phenylbutanoic Acid, .alpha.-Phenyl-n-butyric acid, CHEMBL1616045, CTK1A9990, KBio1_001937, KBio2_002153, KBio2_004721, KBio2_007289, KBio3_002667, (.+/-.)-2-Phenylbutyric acid, (.+/-.)-2-Phenylbutanoic acid, ALBB-023513, KS-00000X9F, NSC-1860, (+/-)-alpha-Ethylphenylacetic acid, (^+)-2-Phenylbutyric acid, 98%, ANW-39458, BBL012274, HTS006421, SBB042503, STL163589, AKOS000120324, AKOS016040111, BS-3887, MCULE-3609745851, RP22715, RTR-030626, TRA0024284, AC-10409, AN-16776, LS-48147, AB0007710, TL8005809, TR-030626, FT-0613342, P0164, R1047, ST24041013, ST45025469, I01-6386, I04-8340, I04-8341, J-520787, W-100334, I04-13468, F2191-0104, Z1259040987, (+/-)-2-Phenylbutyric acid, Vetec(TM) reagent grade, 98%, 36541-31-8, InChI=1/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12, Phenylbutyric acid, 2-phenylsmorsyre, 2-phenylbutanoate, 2-Phenylbutanoicacid, |A-phenylbutyric acid, (S)-2-Phenylbutanoic acid, ()-2-Phenylbutyric acid, |A-ethylbenzeneacetic acid, (R)-2-phenylbutyric acid, UNII-S7S079H2C2, (R)-(-)-2-Phenylbutyric acid, (S)-(+)-2-Phenylbutyric acid, CID7012, S7S079H2C2, C10H12O2, AR-1L0622, C10-H12-O2, 2-Phenylbutyric acid, 98% - 100G 100g, 938-79-4, 4286-15-1, 88745-29-3,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number