AG001QCC

158602-32-5 | Acetic acid, 2-[1-(diphenylmethyl)-3-azetidinylidene]-, ethyl ester

AG001QCC

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CAS Number	158602-32-5
Catalog Number	AG001QCC(AGN-PC-09T385)
Chemical Name	Acetic acid, 2-[1-(diphenylmethyl)-3-azetidinylidene]-, ethyl ester
IUPAC Name	ethyl 2-(1-benzhydrylazetidin-3-ylidene)acetate
InChI	InChI=1S/C20H21NO2/c1-2-23-19(22)13-16-14-21(15-16)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,2,14-15H2,1H3
InChI Key	MMUAPMICLHEYFY-UHFFFAOYSA-N
MDL Number	MFCD11227131
Molecular Formula	C20H21NO2
Molecular Weight	307.3862
SMILES	CCOC(=O)C=C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
Synonyms	158602-32-5, ETHYL 2-(1-BENZHYDRYLAZETIDIN-3-YLIDENE)ACETATE, Ethyl 2-(1-benzhydrylazetidin-3-ylidene) acetate, SCHEMBL71975, CTK4C9749, DTXSID30699840, MMUAPMICLHEYFY-UHFFFAOYSA-N, 7960AA, Acetic acid, 2-[1-(diphenylmethyl)-3-azetidinylidene]-, ethyl ester, ANW-74366, CE-521, MFCD11227131, ZINC40434479, AKOS015909425, RP08063, AJ-101887, AX8217225, TX-015496, FT-0686092, K-4976, ethyl 2-(1-benzhydryl-3-azetidinylidene)acetate, A809946, Ethyl [1-(diphenylmethyl)azetidin-3-ylidene]acetate, J-520570, 1-Benzhydrylazetidine-3-ylideneacetic acid ethyl ester, ethyl 2-[1-(diphenylmethyl)azetidin-3-ylidene]acetate, I14-32942, (1-benzhydrylazetidin-3-ylidene) acetic acid ethyl ester, (1-benzhydrylazetidin-3-ylidene)-acetic acid ethyl ester, (1-benzhydrylazetidin-3-ylidene)acetic acid ethyl ester, ethyl 2-[1-(diphenylmethyl)azetidin-3-ylidene]ethanoate, (1-benzhydryl-azetidin-3-ylidene)-acetic acid ethyl ester, 2-[1-(diphenylmethyl)-3-azetidinylidene]acetic acid ethyl ester, Acetic acid, [1-(diphenylmethyl)-3-azetidinylidene]-, ethyl ester, Aceticacid, 2-[1-(diphenylmethyl)-3-azetidinylidene]-, ethyl ester, C20H21NO2,

Complexity	393
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.157g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.393g/mol
Monoisotopic Mass	307.157g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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