AG00ECMC

62708-42-3 | Benzaldehyde, 2-(2-propenyl)- (9CI)

AG00ECMC

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CAS Number	62708-42-3
Catalog Number	AG00ECMC(AGN-PC-0JM6X7)
Chemical Name	Benzaldehyde, 2-(2-propenyl)- (9CI)
IUPAC Name	2-prop-2-enylbenzaldehyde
InChI	InChI=1S/C10H10O/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-8H,1,5H2
InChI Key	FZTDYEUXQXNEER-UHFFFAOYSA-N
MDL Number	MFCD18824313
Molecular Formula	C10H10O
Molecular Weight	146.1858
NSC Number	314072
SMILES	C=CCc1ccccc1C=O
Synonyms	2-allylbenzaldehyde, 62708-42-3, 2-(PROP-2-EN-1-YL)BENZALDEHYDE, o-allylbenzaldehyde, NSC314072, Benzaldehyde, 2-(2-propenyl)- (9CI), 2-prop-2-enylbenzaldehyde, AC1L75FJ, SCHEMBL590015, CTK5B5705, DTXSID80317305, FZTDYEUXQXNEER-UHFFFAOYSA-N, AKOS022634235, NSC-314072, BENZALDEHYDE, 2-(2-PROPENYL)-, Benzaldehyde,2- -, Benzaldehyde,2- -1-propenyl-, CID329750, 62708-40-1,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.073g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.189g/mol
Monoisotopic Mass	146.073g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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

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