AG00IA13

5618-03-1 | 3-Cyclopropylpropionic Acid

AG00IA13

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CAS Number	5618-03-1
Catalog Number	AG00IA13(AGN-PC-0KKM6X)
Chemical Name	3-Cyclopropylpropionic Acid
IUPAC Name	3-cyclopropylpropanoic acid
InChI	InChI=1S/C6H10O2/c7-6(8)4-3-5-1-2-5/h5H,1-4H2,(H,7,8)
InChI Key	PPZZCMKWRAVJDS-UHFFFAOYSA-N
MDL Number	MFCD02179408
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	O=C(O)CCC1CC1
Synonyms	3-cyclopropylpropanoic Acid, 3-Cyclopropylpropionic acid, 5618-03-1, Cyclopropanepropanoic acid, 3-cyclopropyl-propionic acid, 3-Cyclopropylpropoinincacid, AC1MBX6U, cyclopropylmethylacetic acid, 3-cyclopropylpropoininc acid, SCHEMBL301024, AMOT0458, CTK1F5134, DTXSID30374125, PPZZCMKWRAVJDS-UHFFFAOYSA-N, CS-D0289, ZINC2391915, 8214AB, AM8844, MFCD02179408, AKOS008139971, MCULE-1377442346, 3-cyclopropylpropionic acid, AldrichCPR, AJ-35798, BS-12926, SC-31428, DB-015397, A1342, FT-0693188, EN300-78456, X-2407, C6H10O2, CID2758013,

Complexity	94.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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