AG0037T3

504-85-8 | 4-Methyl-3-pentenoic acid

AG0037T3

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CAS Number	504-85-8
Catalog Number	AG0037T3(AGN-PC-0JL8AG)
Chemical Name	4-Methyl-3-pentenoic acid
EC Number	610-536-2
IUPAC Name	4-methylpent-3-enoic acid
InChI	InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)
InChI Key	CQJHAULYLJXJNL-UHFFFAOYSA-N
MDL Number	MFCD01846267
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	OC(=O)CC=C(C)C
Synonyms	4-Methyl-3-pentenoic acid, 4-methylpent-3-enoic acid, 504-85-8, Pyroterebic acid, 3-Pentenoic acid, 4-methyl-, Brenzterebinsaure, AC1Q5T4U, 4-methyl-pent-3-enoic acid, 3-Pentenoic acid,4-methyl-, SCHEMBL822374, AC1L295S, CTK4J2682, DTXSID40198450, CQJHAULYLJXJNL-UHFFFAOYSA-N, ZINC1846597, LMFA01020031, MFCD01846267, AKOS000191167, CM-1953, RP00595, AJ-31921, AN-21446, AS-30640, AB0070982, DB-003968, TC-070216, FT-0692551, X-3701, J-515798, CID68158, AR-1G3766, C6-H10-O2, FA(6:1), 52129-70-1,

Complexity	110
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	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number