AG003JP5

21378-21-2 | 3-Methylcyclohex-2-enol

AG003JP5

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CAS Number	21378-21-2
Catalog Number	AG003JP5(AGN-PC-00G6XI)
Chemical Name	3-Methylcyclohex-2-enol
EC Number	244-353-0
IUPAC Name	3-methylcyclohex-2-en-1-ol
InChI	InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h5,7-8H,2-4H2,1H3
InChI Key	XNDZQQSKSQTQQD-UHFFFAOYSA-N
MDL Number	MFCD00001553
Molecular Formula	C7H12O
Molecular Weight	112.1696
NSC Number	174669
SMILES	CC1=CC(O)CCC1
Synonyms	3-Methyl-2-cyclohexen-1-ol, 21378-21-2, Seudenol, 3-Methylcyclohex-2-enol, 3-Methylcyclohex-2-en-1-ol, 2-Cyclohexen-1-ol, 3-methyl-, 1-Methyl-1-cyclohexen-3-ol, 3-Methyl-2-cyclohexenol, XNDZQQSKSQTQQD-UHFFFAOYSA-N, ACMC-1AMLT, 3-methyl-cyclohex-2-enol, AC1L3HZ3, AC1Q2J8P, 3-methyl-1-cyclohex-2-enol, SCHEMBL811643, 2-Cyclohexen-1-ol,3-methyl-, 3-methyl-cyclohex-2-en-1-ol, CTK4E6610, XNDZQQSKSQTQQD-UHFFFAOYSA-, AC1Q7804, EINECS 244-353-0, NSC174669, 3-Methyl-2-cyclohexen-1-ol, 96%, AKOS009158570, NSC 174669, NSC-174669, AX8087960, TC-169512, FT-0616063, X4463, A815299, J-014021, S14-1353, Z2696309913, InChI=1/C7H12O/c1-6-3-2-4-7(8)5-6/h5,7-8H,2-4H2,1H3, C7H12O, CID89487, AR-1C4339, 56061-32-6,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.089g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.172g/mol
Monoisotopic Mass	112.089g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number