AG002WGM

28785-06-0 | Benzaldehyde, 4-propyl-

AG002WGM

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CAS Number	28785-06-0
Catalog Number	AG002WGM(AGN-PC-0JLMO7)
Chemical Name	Benzaldehyde, 4-propyl-
EC Number	249-221-6
IUPAC Name	4-propylbenzaldehyde
InChI	InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3
InChI Key	MAUCRURSQMOFGV-UHFFFAOYSA-N
MDL Number	MFCD00041870
Molecular Formula	C10H12O
Molecular Weight	148.2017
SMILES	O=CC1=CC=C(CCC)C=C1
Synonyms	4-Propylbenzaldehyde, 28785-06-0, 4-n-Propylbenzaldehyde, Benzaldehyde, 4-propyl-, p-Propylbenzaldehyde, 4-Propylbenzaldehyd, Benzaldehyde, p-propyl-, BRN 2206736, 4-PropYl-Benzaldehyde, EINECS 249-221-6, MAUCRURSQMOFGV-UHFFFAOYSA-N, 4-propyl benzaldehyde, p-n-propylbenzaldehyde, ACMC-20amb1, p-Propyl-benzaldehyde, e, AC1L3PZ5, AC1Q2UX7, 4-Propylbenzaldehyde, 95%, 2-07-00-00246 (Beilstein Handbook Reference), SCHEMBL493764, AC1Q6Q63, DTXSID6067412, BDBM85651, CTK1A3689, KS-00000FVI, ZINC2584250, CK1040, SBB059136, AKOS009075840, DS-4247, MCULE-5022951679, TRA0160142, VZ29499, AJ-43368, AK115629, LS-25153, TC-168580, 4CH-022109, FT-0638809, ST24043999, ST51044265, X2736, A804831, J-017259, I01-19456, C10H12O, AR-1G4491, C10-H12-O, CID120047, 122-03-2, 29644-89-1,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.089g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.205g/mol
Monoisotopic Mass	148.089g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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