AG00F3BE

6140-64-3 | 1-Methylcyclohexanecarboxaldehyde

AG00F3BE

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CAS Number	6140-64-3
Catalog Number	AG00F3BE(AGN-PC-0NGHTX)
Chemical Name	1-Methylcyclohexanecarboxaldehyde
IUPAC Name	1-methylcyclohexane-1-carbaldehyde
InChI	InChI=1S/C8H14O/c1-8(7-9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChI Key	FXZFFVCJWZTTMX-UHFFFAOYSA-N
MDL Number	MFCD12028616
Molecular Formula	C8H14O
Molecular Weight	126.1962
SMILES	CC1(C=O)CCCCC1
Synonyms	1-methylcyclohexanecarbaldehyde, 6140-64-3, 1-Methylcyclohexane-1-carboxaldehyde, 1-methylcyclohexanecarboxaldehyde, 1-methylcyclohexane-1-carbaldehyde, Cyclohexanecarboxaldehyde, methyl-, Cyclohexanecarboxaldehyde, 1-methyl-, 1-Formyl-1-methylcyclohexane, SCHEMBL349627, 1-methyl-cyclohexanecarbaldehyde, CTK2E0614, DTXSID50456452, FXZFFVCJWZTTMX-UHFFFAOYSA-N, (1-methyl)cyclohexanecarboxaldehyde, 1-methyl-cyclohexane-1-carbaldehyde, CS-B1796, KS-00002A9R, KM0505, MFCD12028616, ZINC36533511, AKOS006282564, PS-4783, RP00831, BL001447, AB0041808, AM20070501, Y9621, 1-Methylcyclohexane-1-carboxaldehyde, AldrichCPR, J-504992, I14-21055, C8H14O, CID11137168,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H226-H315-H319-H332-H335
Precuationary statements	P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Siginal words

Certificate of Analysis

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