AG0036VS

6502-22-3 | 2-iso-Propylbenzaldehyde

AG0036VS

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CAS Number	6502-22-3
Catalog Number	AG0036VS(AGN-PC-0WAK9Q)
Chemical Name	2-iso-Propylbenzaldehyde
EC Number	259-433-0
IUPAC Name	2-propan-2-ylbenzaldehyde
InChI	InChI=1S/C10H12O/c1-8(2)10-6-4-3-5-9(10)7-11/h3-8H,1-2H3
InChI Key	DTALCVXXATYTQJ-UHFFFAOYSA-N
MDL Number	MFCD06201222
Molecular Formula	C10H12O
Molecular Weight	148.2017
SMILES	O=Cc1ccccc1C(C)C
Synonyms	2-Isopropylbenzaldehyde, 6502-22-3, 2-iso-propylbenzaldehyde, Isopropylbenzaldehyde, 2-(Propan-2-Yl)Benzaldehyde, 2-propan-2-ylbenzaldehyde, DTALCVXXATYTQJ-UHFFFAOYSA-N, 55012-32-3, EINECS 259-433-0, o-isopropylbenzaldehyde, 2-isopropyl benzaldehyde, 2-isopropyl-benzaldehyde, AC1LBX5R, AC1Q1OUS, SCHEMBL385724, 2-(1-Methylethyl)benzaldehyde, CTK3J3306, DTXSID40203553, BCP04819, ZINC4267232, 2-iso-propylbenzaldehyde, AldrichCPR, AKOS010078186, ACN-049317, AS06366, CM10477, CS-W019200, AJ-49956, AK136026, SC-20671, RT-001399, FT-0647658, 502I223, Benzaldehyde,2-(1-methylethyl)-, C10-H12-O, CID590536, ZINC04267232,

Complexity	129
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	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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