AG003679

1129-06-2 | 3-Cyclopropyl benzoic acid

AG003679

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CAS Number	1129-06-2
Catalog Number	AG003679(AGN-PC-0JP5WM)
Chemical Name	3-Cyclopropyl benzoic acid
IUPAC Name	3-cyclopropylbenzoic acid
InChI	InChI=1S/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12)
InChI Key	RQRAQQYDNSRVRK-UHFFFAOYSA-N
MDL Number	MFCD00626842
Molecular Formula	C10H10O2
Molecular Weight	162.1852
NSC Number	135140
SMILES	C1(CC1)C=1C=C(C(=O)O)C=CC1
Synonyms	3-Cyclopropylbenzoic acid, 1129-06-2, Benzoic acid, 3-cyclopropyl-, 3-Cyclopropyl benzoic acid, 3-cyclopropyl-benzoic acid, NSC135140, 3-CyclopropylbenzoicAcid, m-cyclopropylbenzoic acid, AC1L5VMS, AC1Q5TNM, ACMC-1BP9N, Benzoic acid,3-cyclopropyl-, SCHEMBL1543703, CTK4A8032, KS-00003KOE, DTXSID80300156, RQRAQQYDNSRVRK-UHFFFAOYSA-N, ZINC1721742, 2229AA, ANW-53825, MFCD00626842, SBB052601, STK079107, AKOS004118825, FS-2239, NSC-135140, RTR-002500, AJ-31009, AN-17071, SC-04515, SY027701, AB1010058, DB-006420, TR-002500, BB 0223479, FT-0080315, FT-0650856, MFCD00626842 (95%), 129C062, F2167-4844, Z1741969136, null, C10H10O2, AR-1F2893, CID282065, 1132-41-8,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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