Z-AC3C-OH

CAT: 0024-sc-286868ASize: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-286868ASize:10 g

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CAS Number

84677-06-5

Chemical Information

1-{[(Benzyloxy)carbonyl]amino}cyclopropane-1-carboxylic acid

CAS Number	84677-06-5
PubChem CID	3589012
IUPAC Name	1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
Molecular Formula	C12H13NO4
Molecular Weight	235.24
XLogP	1.4
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	306

SMILES

C1CC1(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H13NO4/c14-10(15)12(6-7-12)13-11(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)

InChIKey

KHINKCGJKZSHAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84677-06-5

CID: 3589012

Formula: C12H13NO4

MW: 235.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.24
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	235.08445790
Monoisotopic Mass	235.08445790
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	306
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes