AG002LYZ

23039-28-3 | Benzaldehyde, 3-(1,1-dimethylethyl)-

AG002LYZ

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CAS Number	23039-28-3
Catalog Number	AG002LYZ(AGN-PC-0N0CKX)
Chemical Name	Benzaldehyde, 3-(1,1-dimethylethyl)-
IUPAC Name	3-tert-butylbenzaldehyde
InChI	InChI=1S/C11H14O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3
InChI Key	HKEQMVXZDQLSDY-UHFFFAOYSA-N
MDL Number	MFCD11100027
Molecular Formula	C11H14O
Molecular Weight	162.2283
SMILES	O=CC1=CC=CC(C(C)(C)C)=C1
Synonyms	3-tert-butylbenzaldehyde, 23039-28-3, Benzaldehyde, 3-(1,1-dimethylethyl)-, 3-tert-butyl-benzaldehyde, 3-(tert-butyl)benzaldehyde, m-tert-butylbenzaldehyde, 3-tert-butyl benz-aldehyde, SCHEMBL309484, CTK4F0741, DTXSID90436531, HKEQMVXZDQLSDY-UHFFFAOYSA-N, 3-(1,1-Dimethylethyl)benzaldehyde, ANW-47292, SBB052130, ZINC36532759, AKOS005256579, Benzaldehyde,3-(1,1-dimethylethyl)-, FS-5609, AJ-93063, BR-49583, EN002435, SC-37763, AB0023601, TC-136037, FT-0716525, ST24028620, W4684, S-5987, I01-8107, C11H14O, CID10192588,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.104g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.232g/mol
Monoisotopic Mass	162.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319
Packing Group	\N
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Signal Words	warning
UN Code	\N

Certificate of Analysis

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