AG003LQC

10321-71-8 | 4-Methyl-2-pentenoic acid

AG003LQC

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CAS Number	10321-71-8
Catalog Number	AG003LQC(AGN-PC-0JLI9R)
Chemical Name	4-Methyl-2-pentenoic acid
EC Number	233-706-4
FEMA Number	4180
IUPAC Name	(E)-4-methylpent-2-enoic acid
InChI	InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
InChI Key	QAOXMQCWUWZZNC-ONEGZZNKSA-N
MDL Number	MFCD00043804
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	CC(C)/C=C/C(O)=O
UNII	0QP1933PTD
Synonyms	4-Methyl-2-pentenoic acid, 10321-71-8, 2-Pentenoic acid, 4-methyl-, 4-methylpent-2-enoic acid, (E)-4-methylpent-2-enoic acid, (2E)-4-methylpent-2-enoic acid, 3-isopropyl acrylic acid, UNII-0QP1933PTD, 4-Methylpent-2-en-1-oic acid, trans-4-Methyl-2-pentenoic acid, (E)-4-Methyl-2-pentenoic acid, 4-methyl-2E-pentenoic acid, 2-pentenoic acid, 4-methyl-, (2E)-, 0QP1933PTD, QAOXMQCWUWZZNC-ONEGZZNKSA-N, MFCD00043804, 16666-43-6, FEMA No. 4180, E-, EINECS 233-706-4, 4-Methyl-2-pentenoic acid, (2E)-, 4-methyl-2-pentenoicaci, 117831-56-8, fema 4180, SCHEMBL43207, AC1LD458, DTXSID3065035, 4-methyl-2-pentenoic acid,97%, ZINC153584, (2E)-4-Methyl-2-pentenoic acid, 4-methyl-2-pentenoic acid, 98+%, LMFA01020112, SBB061966, (2E)-4-Methyl-2-pentenoic acid #, AKOS004908022, NE10992, 4-methyl-pent-2-enoic acid, AldrichCPR, AN-20387, TC-168691, M0268, 4-methyl-2-pentenoic acid (stabilized with hq), 2-Propenyl,3-carboxy-1,1-dimethyl-,(E)- (9CI), J-000906, I14-61606, UNII-664UX09YV9 component QAOXMQCWUWZZNC-ONEGZZNKSA-N, InChI=1/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3, (2E)-2-Hexenoic acid, UNII-664UX09YV9, C6H10O2, 664UX09YV9, C6-H10-O2, CID642039, 2-Pentenoic acid, 4-methyl-, (E)-, FA(6:1),

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
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	8
Hazard statements	H314-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P264-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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