AG00CKNB

40681-88-7 | Benzaldehyde,4-(1,3-dioxolan-2-yl)-

AG00CKNB

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CAS Number	40681-88-7
Catalog Number	AG00CKNB(AGN-PC-00H130)
Chemical Name	Benzaldehyde,4-(1,3-dioxolan-2-yl)-
IUPAC Name	4-(1,3-dioxolan-2-yl)benzaldehyde
InChI	InChI=1S/C10H10O3/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,7,10H,5-6H2
InChI Key	XXTKORQHKOYXIH-UHFFFAOYSA-N
MDL Number	MFCD03180272
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	O=CC1=CC=C(C2OCCO2)C=C1
Synonyms	4-(1,3-dioxolan-2-yl)benzaldehyde, 40681-88-7, Benzaldehyde, 4-(1,3-dioxolan-2-yl)-, XXTKORQHKOYXIH-UHFFFAOYSA-N, SCHEMBL1099421, CTK7H9410, 2-(4-formylphenyl)-1,3-dioxolane, 4-[1,3]Dioxolan-2-ylbenzaldehyde, 4-[1,3]dioxolane-2-ylbenzaldehyde, 4-(1,3)-dioxolan-2yl-benzaldehyde, MFCD03180272, ZINC36294312, 4-[1,3] Dioxolan-2-ylbenzaldehyde, 4-[1,3] dioxolane-2-ylbenzaldehyde, 4-(1,3-dioxolan-2-yl)-benzaldehyde, AKOS006278063, AB13792, FT-0724221, BENZALDEHYDE,4-(1,3-DIOXOLAN-2-YL)-, CID11829988,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P261-P280-P305+P351+P338-P304+P340-P405
Siginal words

Certificate of Analysis

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