AG001MNT

1505-50-6 | Benzenepropanoic acid, 4-methyl-

AG001MNT

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CAS Number	1505-50-6
Catalog Number	AG001MNT(AGN-PC-0JLBAA)
Chemical Name	Benzenepropanoic acid, 4-methyl-
EC Number	216-132-9
IUPAC Name	3-(4-methylphenyl)propanoic acid
InChI	InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key	LDYGRLNSOKABMM-UHFFFAOYSA-N
MDL Number	MFCD00016561
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	512
SMILES	O=C(O)CCC1=CC=C(C)C=C1
Synonyms	1505-50-6, 3-(p-Tolyl)propionic acid, 3-(4-Methylphenyl)propionic acid, 3-(p-Tolyl)propanoic acid, 3-p-tolylpropanoic acid, Benzenepropanoic acid, 4-methyl-, 3-(4-Methylphenyl)propanoic acid, 4-methylphenylpropionic acid, p-Methylhydrocinnamic acid, 4-METHYLHYDROCINNAMIC ACID, 4-methyl phenyl propionic acid, LDYGRLNSOKABMM-UHFFFAOYSA-N, MFCD00016561, F3099-6432, otava-bb bb7018760318, 3-(p-Tolyl)propionic acid, 97%, EINECS 216-132-9, zlchem 777, PubChem3031, ss-p-Toluylpropionsaure, 2ay4, 3-p-tolylpropionic acid, AC1L2KTG, AC1Q2LWD, AC1Q5VVY, 4-Tolylhydrocinnamic acid, Maybridge3_000616, 3-p-tolyl-propionic acid, ACMC-209d4m, b-(p-tolyl)-propionic acid, 4-methylbenzenepropanoic acid, SCHEMBL169770, NSC512, Benzenepropanoic acid,4-methyl-, Jsp002872, 3-(4-methyphenyl)propionic acid, CTK4C6696, DTXSID70164562, EBD4224, NSC-512, ZLD0236, HMS1432L22, ZINC135745, 3-(p-Tolyl)propionic acid, 98%, 3-(4'-Methylphenyl)propionic acid, ACT02719, 3-(4-Methylphenyl)propanoic acid #, ANW-21284, BBL002118, CT-819, SBB016295, STK894894, P-(METHYLPHENYL)PROPANOIC ACID, AKOS000112347, AB01198, DB03400, FS-1553, MCULE-3130199239, TRA0051563, IDI1_012003, AJ-12285, AN-49345, SY007830, DB-021671, ST2404838, TR-030624, FT-0613873, ST50208220, W3291, EN300-24184, MFCD00016561 (95%), B-3018, S04-0057, W-108074, InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12, 3- propionicacid, C10H12O2, CID73927, AR-1H8713, ACN-031382, C10-H12-O2, T2797, 1-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDE, PPT, 109431-87-0, 15257-97-3,

Complexity	146
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	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number