AG00DC7B

55170-74-6 | 5-Methylhex-5-enoic acid

AG00DC7B

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CAS Number	55170-74-6
Catalog Number	AG00DC7B(AGN-PC-0JSQ5Z)
Chemical Name	5-Methylhex-5-enoic acid
IUPAC Name	5-methylhex-5-enoic acid
InChI	InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9)
InChI Key	HCLVGAZUVMWYLF-UHFFFAOYSA-N
MDL Number	MFCD02259906
Molecular Formula	C7H12O2
Molecular Weight	128.1690
SMILES	CC(CCCC(O)=O)=C
Synonyms	5-Methyl-5-hexenoic acid, 5-methylhex-5-enoic acid, 55170-74-6, 5-Hexenoic acid, 5-methyl-, LMFA01020117, AC1LC7X9, 5-Methyl-5-hexenoic acid #, SCHEMBL1993165, CTK5A3143, DTXSID90338521, HCLVGAZUVMWYLF-UHFFFAOYSA-N, 5-METHYL-HEX-5-ENOIC ACID, ZINC2579547, MFCD02259906, AKOS006276030, SC-31519, FT-0699981, X3484, C7H12O2, CID549600, FA(7:1),

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	\N

Certificate of Analysis

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